| Literature DB >> 27203343 |
Sergei A Egorov1,2, Andrey Milchev3, Kurt Binder2.
Abstract
The nematic ordering in semiflexible polymers with contour length L exceeding their persistence length ℓ_{p} is described by a confinement of the polymers in a cylinder of radius r_{eff} much larger than the radius r_{ρ} expected from the respective concentration of the solution. Large-scale molecular dynamics simulations combined with density functional theory are used to locate the isotropic-nematic (I-N) transition and to validate this cylindrical confinement. Anomalous fluctuations due to chain deflections from neighboring chains in the nematic phase are proposed. Considering deflections as collective excitations in the nematically ordered phase of semiflexible polymers elucidates the origins of shortcomings in the description of the I-N transition by existing theories.Entities:
Year: 2016 PMID: 27203343 DOI: 10.1103/PhysRevLett.116.187801
Source DB: PubMed Journal: Phys Rev Lett ISSN: 0031-9007 Impact factor: 9.161